N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C22H34ClN3O2 — CID 43047848

IUPACN-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C22H34ClN3O2/c1-15(2)20(25-21(27)16-10-6-5-7-11-16)22(28)24-14-19(26(3)4)17-12-8-9-13-18(17)23/h8-9,12-13,15-16,19-20H,5-7,10-11,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyKMDQHBAUNMJSCP-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.78
Rot. Bonds8

About N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 43047848) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID43047848
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC NameN-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C22H34ClN3O2/c1-15(2)20(25-21(27)16-10-6-5-7-11-16)22(28)24-14-19(26(3)4)17-12-8-9-13-18(17)23/h8-9,12-13,15-16,19-20H,5-7,10-11,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyKMDQHBAUNMJSCP-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43046953
N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898930
N-[(2R)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898931
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639
N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 18137263
2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797063
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
2-chloro-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9327127

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 43047848) is N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)NCC(c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is KMDQHBAUNMJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O2/c1-15(2)20(25-21(27)16-10-6-5-7-11-16)22(28)24-14-19(26(3)4)17-12-8-9-13-18(17)23/h8-9,12-13,15-16,19-20H,5-7,10-11,14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 407.99 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 43047848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).